![N-[3-[3-(4-keto-5-methyl-chroman-2-yl)propylamino]propyl]hexanamide](/api/spectrum/6BojEGyC9Xj/structure.png?h=300&w=458 "N-[3-[3-(4-keto-5-methyl-chroman-2-yl)propylamino]propyl]hexanamide")
| SpectraBase Compound ID | L0PLZ85VhLo |
|---|---|
| InChI | InChI=1S/C22H34N2O3/c1-3-4-5-12-21(26)24-15-8-14-23-13-7-10-18-16-19(25)22-17(2)9-6-11-20(22)27-18/h6,9,11,18,23H,3-5,7-8,10,12-16H2,1-2H3,(H,24,26) |
| InChIKey | KBVGJONBHUCZBU-UHFFFAOYSA-N |
| Mol Weight | 374.5 g/mol |
| Molecular Formula | C22H34N2O3 |
| Exact Mass | 374.256943 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6BojEGyC9Xj |
|---|---|
| Name | N-[3-[3-(4-Keto-5-methyl-chroman-2-yl)propylamino]propyl]hexanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.256942960 u |
| Formula | C22H34N2O3 |
| InChI | InChI=1S/C22H34N2O3/c1-3-4-5-12-21(26)24-15-8-14-23-13-7-10-18-16-19(25)22-17(2)9-6-11-20(22)27-18/h6,9,11,18,23H,3-5,7-8,10,12-16H2,1-2H3,(H,24,26) |
| InChIKey | KBVGJONBHUCZBU-UHFFFAOYSA-N |
| Molecular Weight | 374.525 g/mol |
| SMILES | C1(C=2C(=CC=CC2C)OC(C1)CCCNCCCNC(=O)CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909942 |